Compound Detail
CHEMBL5879939
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CC[C@H]1CCc2nnc(-c3cccc(N4Cc5c(cc(N6CCC[C@H]6C)nc5CNC)C4=O)n3)n21
Basic Information
| ChEMBL ID | CHEMBL5879939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHBRARNRIAKCGO-SJORKVTESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
3.50
ALogP
8
HBA
1
HBD
92.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase D2 CHEMBL4900 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Ribosomal protein S6 kinase alpha-2 CHEMBL3906 | IC50 | 8.0 | 8.0 | 10.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase D2 | IC50 | = | 7.97 | nM | 8.1 | Biochemical Selectivity Kinase Assay: PRKD2 (PKD2) and RPS6KA2 (RSK3) kinase ass... | - |
| Ribosomal protein S6 kinase alpha-2 | IC50 | = | 10.1 | nM | 8.0 | Biochemical Selectivity Kinase Assay: PRKD2 (PKD2) and RPS6KA2 (RSK3) kinase ass... | - |
Data from ChEMBL 36 via Core Engine